(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate

C18H20FNO2 — CID 57330094

IUPAC(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate
SMILESCC(C)c1ccccc1OC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-13(2)16-5-3-4-6-17(16)22-18(21)20-12-11-14-7-9-15(19)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyKUTUMFYXNAKBTJ-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.28
Rot. Bonds5

About (2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate

(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate (PubChem CID 57330094) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate
PubChem CID57330094
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate
SMILESCC(C)c1ccccc1OC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-13(2)16-5-3-4-6-17(16)22-18(21)20-12-11-14-7-9-15(19)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyKUTUMFYXNAKBTJ-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 127551051
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide
CID 109024992
(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate
CID 19220587
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878931
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056
1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 41134387
1-[(4-fluorophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878836
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate
CID 174786679

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate?
The IUPAC name of (2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate (CID 57330094) is (2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for (2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate?
The canonical SMILES for (2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate is CC(C)c1ccccc1OC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate?
The InChIKey is KUTUMFYXNAKBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13(2)16-5-3-4-6-17(16)22-18(21)20-12-11-14-7-9-15(19)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of (2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate?
(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate has a molecular weight of 301.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 57330094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).